(2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylidene-undeca-2,9-dienedioate

Systemtic Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylidene-undeca-2,9-dienedioate Openeye Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-thioxo-undeca-2,9-dienedioate CAS Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylideneundeca-2,9-dienedioate IUPAC Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylideneundeca-2,9-dienedioate Traditional Name: (2E,9E)-4-methyl-8-methylol-6-thioxo-undeca-2,9-dienedioate Formula: C13H16O5S-2 MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=S)CC(CO)C=CC(=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

CC(CC(=S)CC(CO)/C=C/C(=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C13H18O5S/c1-9(2-4-12(15)16)6-11(19)7-10(8-14)3-5-13(17)18/h2-5,9-10,14H,6-8H2,1H3,(H,15,16)(H,17,18)/p-2/b4-2+,5-3+